Benzoic acid,2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, methyl ester, hydrochloride (1:1)

The CAS registry number of Benzoic acid,2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, methyl ester, hydrochloride (1:1) is 1248-42-6. Its EINECS registry number is 214-999-8. The systematic name is methyl 2-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}benzoate hydrochloride (1:1). In addition, the molecular formula is C₂₂H₂₅NO₄.ClH. What's more, it should be stored in a cool and dry place.

Physical properties about Benzoic acid,2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, methyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 3.67; (2)ACD/LogD (pH 5.5): 0.84; (3)ACD/LogD (pH 7.4): 2.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 18.89; (6)ACD/KOC (pH 5.5): 3.48; (7)ACD/KOC (pH 7.4): 123.37; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 55.84 Å²; (11)Flash Point: 263.4 °C; (12)Enthalpy of Vaporization: 78.31 kJ/mol; (13)Boiling Point: 512 °C at 760 mmHg; (14)Vapour Pressure: 1.35E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)c1ccccc1C(=O)c3ccc(OCCN2CCCCC2)cc3
(2)InChI: InChI=1/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H
(3)InChIKey: ZRFIFDFEDPJBII-UHFFFAOYAP

The toxicity data is as follows: